4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid

C14H19O3P — CID 88760741

IUPAC4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid
SMILESC=CC(OP(=O)(O)C(=C)c1ccccc1)C(C)C
InChIInChI=1S/C14H19O3P/c1-5-14(11(2)3)17-18(15,16)12(4)13-9-7-6-8-10-13/h5-11,14H,1,4H2,2-3H3,(H,15,16)
InChIKeyXOSXJINMNQJJSD-UHFFFAOYSA-N
MW266.28 g/mol
LogP4.07
Rot. Bonds6

About 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid

4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid (PubChem CID 88760741) has the molecular formula C14H19O3P and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid.

Molecular Properties

Compound Name4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid
PubChem CID88760741
Molecular FormulaC14H19O3P
Molecular Weight266.28 g/mol
Exact Mass266.11
IUPAC Name4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid
SMILESC=CC(OP(=O)(O)C(=C)c1ccccc1)C(C)C
InChIInChI=1S/C14H19O3P/c1-5-14(11(2)3)17-18(15,16)12(4)13-9-7-6-8-10-13/h5-11,14H,1,4H2,2-3H3,(H,15,16)
InChIKeyXOSXJINMNQJJSD-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid
CID 88759865
1-dimethylphosphorylethenylbenzene
CID 89402997
N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
CID 71427934
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
methylphosphonic acid;phenol
CID 175231709
(4-methyl-1,1-diphenylpent-1-en-3-yl) acetate
CID 101081255
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid?
The IUPAC name of 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid (CID 88760741) is 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid.
What is the SMILES notation for 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid?
The canonical SMILES for 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid is C=CC(OP(=O)(O)C(=C)c1ccccc1)C(C)C.
What is the InChIKey of 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid?
The InChIKey is XOSXJINMNQJJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O3P/c1-5-14(11(2)3)17-18(15,16)12(4)13-9-7-6-8-10-13/h5-11,14H,1,4H2,2-3H3,(H,15,16).
What are the key properties of 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid?
4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid has a molecular weight of 266.28 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid is sourced from PubChem (CID 88760741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).